4-methoxy-3-[methyl-[[1-(phenylmethyl)pyrazol-4-yl]methyl]sulfamoyl]benzoic acid

Systemtic Name: 4-methoxy-3-[methyl-[[1-(phenylmethyl)pyrazol-4-yl]methyl]sulfamoyl]benzoic acid Openeye Name: 3-[(1-benzylpyrazol-4-yl)methyl-methyl-sulfamoyl]-4-methoxy-benzoic acid CAS Name: 4-methoxy-3-[methyl-[[1-(phenylmethyl)-4-pyrazolyl]methyl]sulfamoyl]benzoic acid IUPAC Name: 3-[(1-benzylpyrazol-4-yl)methyl-methylsulfamoyl]-4-methoxybenzoic acid Traditional Name: 3-[(1-benzylpyrazol-4-yl)methyl-methyl-sulfamoyl]-4-methoxy-benzoic acid Formula: C20H21N3O5S MolecularWeight: 415.46284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)CC2=CC=CC=C2)S(=O)(=O)C3=C(C=CC(=C3)C(=O)O)OC

Isomeric SMILES

CN(CC1=CN(N=C1)CC2=CC=CC=C2)S(=O)(=O)C3=C(C=CC(=C3)C(=O)O)OC

InChI

InChI=1S/C20H21N3O5S/c1-22(12-16-11-21-23(14-16)13-15-6-4-3-5-7-15)29(26,27)19-10-17(20(24)25)8-9-18(19)28-2/h3-11,14H,12-13H2,1-2H3,(H,24,25)